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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:40 UTC
Update Date2025-03-25 00:45:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150371
Frequency0.5
Structure
Chemical FormulaC14H14N2O3
Molecular Mass258.1004
SMILESO=C(O)C1=NC(C(O)c2c[nH]c3ccccc23)CC1
InChI KeyCPSOXXPDWFZUNX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • pyrrolines
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • ketimine
  • carbonyl group
  • carboxylic acid
  • indole
  • imine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • pyrroline
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound